Tert-butyl 4-(4-oxobutan-2-yl)benzoate

Base Information

Chemical Name:Tert-butyl 4-(4-oxobutan-2-yl)benzoate
CAS No.:389625-40-5
Molecular Formula:C15H20O3
Molecular Weight:248.3175
Hs Code.:
DSSTox Substance ID:DTXSID90455883
Mol file:389625-40-5.mol

Synonyms:389625-40-5;2-Methyl-2-propanyl 4-(4-oxo-2-butanyl)benzoate;Tert-butyl 4-(4-oxobutan-2-yl)benzoate;DTXSID90455883

Suppliers and Price of Tert-butyl 4-(4-oxobutan-2-yl)benzoate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

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Total 1 raw suppliers

Chemical Property of Tert-butyl 4-(4-oxobutan-2-yl)benzoate

Chemical Property:

PSA：43.37000
LogP:3.33440
XLogP3:2.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:248.14124450
Heavy Atom Count:18
Complexity:283

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(CC=O)C1=CC=C(C=C1)C(=O)OC(C)(C)C

Technology Process of Tert-butyl 4-(4-oxobutan-2-yl)benzoate

There total 4 articles about Tert-butyl 4-(4-oxobutan-2-yl)benzoate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 93.0%

: 149325-57-5
tert-butyl 4-(3-hydroxy-1-methylpropyl)benzoate

: 389625-40-5
tert-butyl 4-(1-methyl-3-oxopropyl)benzoate

Guidance literature:: With oxalyl dichloride; dimethyl sulfoxide; In dichloromethane; at -60 ℃; for 0.25h;
DOI:10.1248/cpb.49.1280

Reference yield:

: 65874-27-3
4-(tert-butoxycarbonyl)benzaldehyde

: 389625-40-5
tert-butyl 4-(1-methyl-3-oxopropyl)benzoate

Guidance literature:: Multi-step reaction with 4 steps

1: 79 percent / toluene / 2 h / Heating

2: 39 percent / Me₃SiCl / diethyl ether / 3 h / -78 - 20 °C

3: 96 percent / LiBH₄ / diethyl ether / 13 h / 20 °C

4: 93 percent / (COCl)2; DMSO / CH₂Cl₂ / 0.25 h / -60 °C

With lithium borohydride; chloro-trimethyl-silane; oxalyl dichloride; dimethyl sulfoxide; In diethyl ether; dichloromethane; toluene; 4: Swern oxidation;
DOI:10.1248/cpb.49.1280

Reference yield:

: 146943-27-3
methyl 3-<4-(tert-butoxycarbonyl)phenyl>propenoate

: 389625-40-5
tert-butyl 4-(1-methyl-3-oxopropyl)benzoate

Guidance literature:: Multi-step reaction with 3 steps

1: 39 percent / Me₃SiCl / diethyl ether / 3 h / -78 - 20 °C

2: 96 percent / LiBH₄ / diethyl ether / 13 h / 20 °C

3: 93 percent / (COCl)2; DMSO / CH₂Cl₂ / 0.25 h / -60 °C

With lithium borohydride; chloro-trimethyl-silane; oxalyl dichloride; dimethyl sulfoxide; In diethyl ether; dichloromethane; 3: Swern oxidation;
DOI:10.1248/cpb.49.1280